SCHEMBL28328009

SCHEMBL28328009

Nc1c(S(=O)(=O)O)ccc2c(C=O)cc(S(=O)(=O)O)cc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.43
CASP6 P55212 3/20 0.43
HSD17B10 Q99714 3/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
NT5E P21589 5/20 0.38
NSD2 O96028 2/20 0.38
DUSP3 P51452 1/20 0.38
PTPN5 P54829 1/20 0.38
PTPN11 Q06124 1/20 0.38
SENP2 Q9HC62 4/20 0.38
SENP1 Q9P0U3 3/20 0.38
SUMO2 P61956 3/20 0.38
SUMO1 P63165 3/20 0.38
SENP7 Q9BQF6 3/20 0.38
SENP3 Q9H4L4 2/20 0.38
GAA P10253 1/20 0.36
PLCG1 P19174 1/20 0.36
DNMT1 P26358 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL1755146 0.82 ALDH1A1 (0.49) ALDH1A1CASP6HSD17B10CYP2C9CYP2C19
SCHEMBL30385294 0.82 ALDH1A1 (0.49) ALDH1A1CASP6HSD17B10CYP2C9CYP2C19
SCHEMBL6205724 0.80 CASP6 (0.55) ALDH1A1CASP6HSD17B10CYP2C9CYP2C19
SCHEMBL10534534 0.78 TTR (0.45) ALDH1A1CASP6HSD17B10CYP2C9CYP2C19
SCHEMBL9713282 0.78 AURKA (0.47) ALDH1A1CASP6HSD17B10CYP2C9CYP2C19
SCHEMBL867464 0.73 ALDH1A1 (0.41) ALDH1A1CASP6HSD17B10CYP2C9CYP2C19
SCHEMBL30023628 0.73 ALDH1A1 (0.41) ALDH1A1CASP6HSD17B10CYP2C9CYP2C19
SCHEMBL31635713 0.72 ALDH1A1 (0.62) ALDH1A1CASP6HSD17B10CYP2C9CYP2C19
SCHEMBL4115148 0.72 ALDH1A1 (0.62) ALDH1A1CASP6HSD17B10CYP2C9CYP2C19
SCHEMBL1755223 0.72 ALDH1A1 (0.62) ALDH1A1CASP6HSD17B10CYP2C9CYP2C19

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110484016-A A kind of Yellow fluorochrome and preparation method thereof and application UNIV SCIENCE & TECHNOLOGY LIAONING 2019-11-22 CN disclosed